Geometry & MOs

Info

ID:	149807
PubChem CID:	53789484
Reduced:	ClNO3C6H16 (1)
Stoich.:	ABC3D6E16 (1)
Weight, g/mol:	446.126006
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	9.13
IP(EA), eV:	-9.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(4-nitrophenyl)sulfonylamino]propanoyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C(CO)[NH+](CCO)CCO.[Cl-]

DOS

IR

Vibrations